Vitas-M small molecule compound
N-{[3-(butanoylamino)phenyl]carbamothioyl}-4-ethoxy-3-nitrobenzamide
Catalog ID
STK131037
SMILES CCCC(=O)Nc1cccc(c1)NC(=S)NC(=O)c1ccc(c(c1)[N+](=O)[O-])OCC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H22N4O5S MW 430.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O5S/c1-3-6-18(25)21-14-7-5-8-15(12-14)22-20(30)23-19(26)13-9-10-17(29-4-2)16(11-13)24(27)28/h5,7-12H,3-4,6H2,1-2H3,(H,21,25)(H2,22,23,26,30)InChIKey
QFMHKRROMZNNFO-UHFFFAOYSA-NSynonyms
CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)(N+)(=O)(O)
CCCC(=O)Nc1cccc(c1)NC(=S)NC(=O)c1ccc(c(c1)(N+)(=O)(O))OCC
InChI=1SC20H22N4O5Sc13618(25)211475815(1214)2220(30)2319(26)1391017(2942)16(1113)24(27)28h5712H346H212H3(H2125)(H222232630)
MFCD02820694
N((3(BUTANOYLAMINO)PHENYL)CARBAMOTHIOYL)4ETHOXY3NITROBENZAMIDE
N(3((((4ETHOXY3NITROPHENYL)CARBONYLAMINO)THIOXOMETHYL)AMINO)PHENYL)BUTANAMIDE
ZINC000004089571
ZINC04089571
ZINC4089571
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